Tuning magnetic anisotropy in Fe$_{5}$GeTe$_{2}$ monolayer through doping and strain
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| Format: | Preprint |
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2024
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| _version_ | 1866917843254116352 |
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| author | Hu, Xunwu Yao, Dao-Xin Cao, Kun |
| author_facet | Hu, Xunwu Yao, Dao-Xin Cao, Kun |
| contents | Controlling magnetic anisotropy energy (MAE) in two-dimensional (2D) ferromagnetic materials is crucial for designing novel spintronic devices. Using first-principles calculations, we systematically investigate the magnetic properties of monolayer Fe$_5$GeTe$_2$ (F5GT) under two scenarios: (I) Co and Ni doping, and (II) compressive and tensile strains. Our results show that the F5GT monolayer exhibits a weak in-plane MAE, which can be significantly enhanced by Co doping. Additionally, a $1\%$ compressive strain switches the magnetic easy axis from in-plane to out-of-plane, while $4\%$ compressive strain can further enhance the out-of-plane MAE. Spin-orbit coupling (SOC) matrix analysis reveals that the enhancement of in-plane MAE in Co-doped F5GT (Co-F5GT) arises from changes in $ \left\langle {\it p}_{x} \left\vert L_z\right\vert {\it p}_{y} \right\rangle $ of Te and $ \left\langle {\it d}_{xy} \left\vert L_z\right\vert {\it d}_{x^2+y^2} \right\rangle $ of Fe(2) and Fe(3). The effect of compressive strain is primarily attributed to a substantial increase in the positive contribution from $ \left\langle {\it d}_{xy} \left\vert L_z\right\vert {\it d}_{x^2+y^2} \right\rangle $ of Fe(1). |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2411_05293 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Tuning magnetic anisotropy in Fe$_{5}$GeTe$_{2}$ monolayer through doping and strain Hu, Xunwu Yao, Dao-Xin Cao, Kun Materials Science Mesoscale and Nanoscale Physics Controlling magnetic anisotropy energy (MAE) in two-dimensional (2D) ferromagnetic materials is crucial for designing novel spintronic devices. Using first-principles calculations, we systematically investigate the magnetic properties of monolayer Fe$_5$GeTe$_2$ (F5GT) under two scenarios: (I) Co and Ni doping, and (II) compressive and tensile strains. Our results show that the F5GT monolayer exhibits a weak in-plane MAE, which can be significantly enhanced by Co doping. Additionally, a $1\%$ compressive strain switches the magnetic easy axis from in-plane to out-of-plane, while $4\%$ compressive strain can further enhance the out-of-plane MAE. Spin-orbit coupling (SOC) matrix analysis reveals that the enhancement of in-plane MAE in Co-doped F5GT (Co-F5GT) arises from changes in $ \left\langle {\it p}_{x} \left\vert L_z\right\vert {\it p}_{y} \right\rangle $ of Te and $ \left\langle {\it d}_{xy} \left\vert L_z\right\vert {\it d}_{x^2+y^2} \right\rangle $ of Fe(2) and Fe(3). The effect of compressive strain is primarily attributed to a substantial increase in the positive contribution from $ \left\langle {\it d}_{xy} \left\vert L_z\right\vert {\it d}_{x^2+y^2} \right\rangle $ of Fe(1). |
| title | Tuning magnetic anisotropy in Fe$_{5}$GeTe$_{2}$ monolayer through doping and strain |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2411.05293 |